488 resultados para HARTREE-FOCK


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We study Hankel operators on the weighted Fock spaces Fp. The boundedness and compactness of these operators are characterized in terms of BMO and VMO, respectively. Along the way, we also study Berezin transform and harmonic conjugates on the plane. Our results are analogous to Zhu's characterization of bounded and compact Hankel operators on Bergman spaces of the unit disk.

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In this paper we characterize the Schatten p class membership of Toeplitz operators with positive measure symbols acting on generalized Fock spaces for the full range p>0.

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The concept of Fock space representation is developed to deal with stochastic spin lattices written in terms of fermion operators. A density operator is introduced in order to follow in parallel the developments of the case of bosons in the literature. Some general conceptual quantities for spin lattices are then derived, including the notion of generating function and path integral via Grassmann variables. The formalism is used to derive the Liouvillian of the d-dimensional Linear Glauber dynamics in the Fock-space representation. Then the time evolution equations for the magnetization and the two-point correlation function are derived in terms of the number operator. (C) 2008 Elsevier B.V. All rights reserved.

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Prolapse-free basis sets suitable for four-component relativistic quantum chemical calculations are presented for the superheavy elements UP to (118)Uuo ((104)Rf, (105)Db, (106)Sg, (107)Bh, (108)Hs, (109)Mt, (110)Ds, (111)Rg, (112)Uub, (113)Uut, (114)Uuq, (115)Uup, (116)Uuh, (117)Uus, (118)Uuo) and Lr-103. These basis sets were optimized by minimizing the absolute values of the energy difference between the Dirac-Fock-Roothaan total energy and the corresponding numerical value at a milli-Hartree order of magnitude, resulting in a good balance between cost and accuracy. Parameters for generating exponents and new numerical data for some superheavy elements are also presented. (c) 2007 Elsevier B.V. All rights reserved.

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Using the functional integral formalism for the statistical generating functional in the statistical (finite temperature) quantum field theory, we prove the equivalence of many-photon Greens functions in the Duffin-Kennner-Petiau and Klein-Gordon-Fock statistical quantum field theories. As an illustration, we calculate the one-loop polarization operators in both theories and demonstrate their coincidence.

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Investigation of the spacelike and timelike electromagnetic form factors of hadrons, within a relativistic microscopical model characterized by a small set of hypothesis, could shed light on the components of hadron states beyond the valence one. Our relativistic approach has been successfully applied first to the pion and then the extension to the nucleon has been undertaken. The pion case is shortly reviewed as an illustrative example for introducing the main ingredients of our approach, and preliminary results for the nucleon in the spacelike range -10 (GeV/c)(2) <= q(2) <= 0 are evaluated.

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A unified description of spacelike and timelike hadron form factors within a light-front model was successfully applied to the pion. The model is extended to the nucleon to study the role of qq pair production and of nonvalence components in the nucleon form factors. Preliminary results in the spacelike range 0 <= Q(2) <= 10 (GeV/c)(2) are presented.

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The simultaneous investigation of the pion electromagnetic form factor in the space- and timelike regions within a light-front model allows one to address the issue of nonvalence components of the pion and photon wave functions. Our relativistic approach is based on a microscopic vector-meson-dominance model for the dressed vertex where a photon decays in a quark-antiquark pair, and on a simple parametrization for the emission or absorption of a pion by a quark. The results show an excellent agreement in the space like region up to -10 (GeV/c)(2), while in timelike region the model produces reasonable results up to 10 (GeV/c)(2).

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Starting from the Generating functional for the Green Function (GF), constructed from the Lagrangian action in the Duffin-Kemmer-Petiau (DKP) theory (L-approach) we strictly prove that the physical matrix elements of the S-matrix in DKP and Klein-Gordon-Fock (KGF) theories coincide in cases of interacting spin O particles with external and quantized Maxwell and Yang-Mills fields and in case of external gravitational field (without or with torsion), For the proof we use the reduction formulas of Lehmann, Symanzik and Zimmermann (LSZ). We prove that many photons and Yang-Mills particles GF coincide in both theories too. (C) 2000 Elsevier B.V. B.V. All rights reserved.

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We prove the equivalence of many-gluon Green's functions in the Duffin-Kemmer-Petieu and Klein-Gordon-Fock statistical quantum field theories. The proof is based on the functional integral formulation for the statistical generating functional in a finite-temperature quantum field theory. As an illustration, we calculate one-loop polarization operators in both theories and show that their expressions indeed coincide.

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For the first time, ab inito all electron fully relativistic and correlated Dirac-Fock calculations with prolapse free basis set are reported for a Super Heavy Element. We investigated the relativistic effects on bonding and on some spectroscopic constants for the darmstadtium carbide and our results at DF/CCSD(T) with a prolapse free basis set suggest for R-e, omega(e) and D-e the values of 174 pm, 1114 cm(-1) and 7.29 eV, respectively. These values are very similar to the values for PtC found on literature. It was also found that prolapse free basis set may be important to estimate the dissociation energy using Relativistic 4-components correlated methods. (c) 2007 ELsevier B.V. All rights reserved.

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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The mean field description of nuclear matter in the quark-meson coupling model is improved by the inclusion of exchange contributions (Fock terms). The inclusion of Fock terms allows us to explore the momentum dependence of meson-nucleon vertices and the role of pionic degrees of freedom in matter. It is found that the Fock terms maintain the previous predictions of the model for the in-medium properties of the nucleon and for the nuclear incompressibility. The Fock terms significantly increase the absolute values of the single-particle, four-component scalar and vector potentials, a feature that is relevant for the spin-orbit splitting in finite nuclei. © 1999 Elsevier Science B.V.